5-[(4-bromophenyl)carbonylamino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(4-bromobenzoyl)amino]-2-[4-(1,3-dimethylbutyl)piperazin-1-yl]benzoic acid CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-[4-(4-methylpentan-2-yl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(4-bromobenzoyl)amino]-2-[4-(1,3-dimethylbutyl)piperazino]benzoic acid Formula: C24H30BrN3O3 MolecularWeight: 488.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC(C)CC(C)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C24H30BrN3O3/c1-16(2)14-17(3)27-10-12-28(13-11-27)22-9-8-20(15-21(22)24(30)31)26-23(29)18-4-6-19(25)7-5-18/h4-9,15-17H,10-14H2,1-3H3,(H,26,29)(H,30,31)